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Substance Name: 4-((5-Chloro-6-(dichloromethyl)-2-fluoro-4-pyrimidinyl)amino)-5-hydroxy-6-((1-sulpho-2-naphthyl)azo)naphthalene-1,7-disulphonic acid, sodium salt
RN: 83763-60-4
InChIKey: VMSVFXLZEYRALO-RCWDREBLSA-K

Molecular Formula

  • C25-H15-Cl3-F-N5-O10-S3.x-Na

Molecular Weight

  • 832.9198
 
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Names and Synonyms

Synonym

  • EINECS 280-747-9

Systematic Name

  • 4-((5-Chloro-6-(dichloromethyl)-2-fluoro-4-pyrimidinyl)amino)-5-hydroxy-6-((1-sulpho-2-naphthyl)azo)naphthalene-1,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83763-60-4

System Generated Number

  • 0083763604

Molecular Formulas

Molecular Formula

  • C25-H15-Cl3-F-N5-O10-S3.x-Na

Molecular Formula Fragments

  • C25-H15-Cl3-F-N5-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H15Cl3FN5O10S3.3Na/c26-18-20(23(27)28)31-25(29)32-24(18)30-13-7-8-15(45(36,37)38)12-9-16(46(39,40)41)19(21(35)17(12)13)34-33-14-6-5-10-3-1-2-4-11(10)22(14)47(42,43)44;;;/h1-9,23,35H,(H,30,31,32)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3/b34-33+;;;

InChIKey

VMSVFXLZEYRALO-RCWDREBLSA-K

Smiles

c1ccc2c(c1)ccc(c2S(=O)(=O)[O-])/N=N/c3c(cc4c(ccc(c4c3O)Nc5c(c(nc(n5)F)C(Cl)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]